N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine

C66H60N2 — CID 123246772

IUPACN-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine
SMILESCc1ccc(C(C)(C)c2ccc(N(c3ccc(-c4ccc(N(c5ccc(C(C)(C)c6ccc(C)cc6)cc5)c5cccc6ccccc56)cc4C)c(C)c3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C66H60N2/c1-45-23-27-51(28-24-45)65(5,6)53-31-35-55(36-32-53)67(63-21-13-17-49-15-9-11-19-61(49)63)57-39-41-59(47(3)43-57)60-42-40-58(44-48(60)4)68(64-22-14-18-50-16-10-12-20-62(50)64)56-37-33-54(34-38-56)66(7,8)52-29-25-46(2)26-30-52/h9-44H,1-8H3
InChIKeyMVYRPFBUVXZWLS-UHFFFAOYSA-N
MW881.22 g/mol
LogP18.49
Rot. Bonds11

About N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine

N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine (PubChem CID 123246772) has the molecular formula C66H60N2 and a molecular weight of 881.22 g/mol. Its IUPAC name is N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine
PubChem CID123246772
Molecular FormulaC66H60N2
Molecular Weight881.22 g/mol
Exact Mass880.48
IUPAC NameN-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine
SMILESCc1ccc(C(C)(C)c2ccc(N(c3ccc(-c4ccc(N(c5ccc(C(C)(C)c6ccc(C)cc6)cc5)c5cccc6ccccc56)cc4C)c(C)c3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C66H60N2/c1-45-23-27-51(28-24-45)65(5,6)53-31-35-55(36-32-53)67(63-21-13-17-49-15-9-11-19-61(49)63)57-39-41-59(47(3)43-57)60-42-40-58(44-48(60)4)68(64-22-14-18-50-16-10-12-20-62(50)64)56-37-33-54(34-38-56)66(7,8)52-29-25-46(2)26-30-52/h9-44H,1-8H3
InChIKeyMVYRPFBUVXZWLS-UHFFFAOYSA-N
XLogP18.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.22
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine with MolForge

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Related Compounds

N-[4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123965706
N-[4-[4-[4-(2-methylbutan-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-(4-methylphenyl)naphthalen-1-amine
CID 118122960
3-methyl-4-[2-methyl-4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]-N-(2-methylphenyl)-N-(4-methylphenyl)aniline
CID 20562857
N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine
CID 91237868
N-(3,4-dimethylphenyl)-N-phenylnaphthalen-1-amine
CID 123561846
N-[3-(4-tert-butylphenyl)-4-[2-(4-tert-butylphenyl)-4-(4-ethyl-N-fluoranthen-3-ylanilino)phenyl]phenyl]-N-(4-ethylphenyl)fluoranthen-3-amine;N-[4-[4-(N-fluoranthen-3-yl-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-N-(4-methylphenyl)fluoranthen-3-amine;N-[4-[4-[N-fluoranthen-3-yl-4-(2-methylphenyl)anilino]-2-methylphenyl]-3-methylphenyl]-N-[4-(2-methylphenyl)phenyl]fluoranthen-3-amine
CID 159286922
N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158140661
4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 159675140
1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 161386948
6-methyl-N-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 58876066

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine?
The IUPAC name of N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine (CID 123246772) is N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine is Cc1ccc(C(C)(C)c2ccc(N(c3ccc(-c4ccc(N(c5ccc(C(C)(C)c6ccc(C)cc6)cc5)c5cccc6ccccc56)cc4C)c(C)c3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine?
The InChIKey is MVYRPFBUVXZWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H60N2/c1-45-23-27-51(28-24-45)65(5,6)53-31-35-55(36-32-53)67(63-21-13-17-49-15-9-11-19-61(49)63)57-39-41-59(47(3)43-57)60-42-40-58(44-48(60)4)68(64-22-14-18-50-16-10-12-20-62(50)64)56-37-33-54(34-38-56)66(7,8)52-29-25-46(2)26-30-52/h9-44H,1-8H3.
What are the key properties of N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine?
N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine has a molecular weight of 881.22 g/mol, XLogP of 18.49, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[2-methyl-4-[4-[2-(4-methylphenyl)propan-2-yl]-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 123246772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).